CID 174885696

H6CuGaInSSe2 — CID 174885696

IUPAC—
SMILESS=[GaH].[Cu].[InH3].[SeH][SeH]
InChIInChI=1S/Cu.Ga.In.S.H2Se2.4H/c;;;;1-2;;;;/h;;;;1-2H;;;;
InChIKeyYKXJTBCZTZEFLF-UHFFFAOYSA-N
MW444.12 g/mol
LogP-2.48
Rot. Bonds

About CID 174885696

CID 174885696 (PubChem CID 174885696) has the molecular formula H6CuGaInSSe2 and a molecular weight of 444.12 g/mol.

Molecular Properties

Compound NameCID 174885696
PubChem CID174885696
Molecular FormulaH6CuGaInSSe2
Molecular Weight444.12 g/mol
Exact Mass444.61
IUPAC Name—
SMILESS=[GaH].[Cu].[InH3].[SeH][SeH]
InChIInChI=1S/Cu.Ga.In.S.H2Se2.4H/c;;;;1-2;;;;/h;;;;1-2H;;;;
InChIKeyYKXJTBCZTZEFLF-UHFFFAOYSA-N
XLogP-2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.12
LogP ≤ 5-2.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174885696?
The IUPAC name of CID 174885696 (CID 174885696) is not available.
What is the SMILES notation for CID 174885696?
The canonical SMILES for CID 174885696 is S=[GaH].[Cu].[InH3].[SeH][SeH].
What is the InChIKey of CID 174885696?
The InChIKey is YKXJTBCZTZEFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/Cu.Ga.In.S.H2Se2.4H/c;;;;1-2;;;;/h;;;;1-2H;;;;.
What are the key properties of CID 174885696?
CID 174885696 has a molecular weight of 444.12 g/mol, XLogP of -2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174885696 is sourced from PubChem (CID 174885696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).